# Tripos standard multi-molecular batch file

!uname -a



for_each $(counter) $(name) $(c_atom) $(s_atom) in "files"
  ligand
    selinit !1 !2 3 !4 !5 6 !10
    read known_lig_stereo.mol2 $(counter)
    if $(STATUS) eq ERROR
      end
      continue
    endif
  end
  
  




  docking
    selbas m $(c_atom)
    placebas c $(c_atom) $(s_atom) 504 1026 1027
    complex all
    seloutp "stauber.log" a n  
    listsol 1
    #info n
  end

  ligand
    #!mkdir $1.mdb
    write stauber.mdb/$(name) n n 1 
  end
end_for

quit y
